iodataΒΆ iodata package Subpackages iodata.formats package Submodules Module contents iodata.inputs package Submodules Module contents iodata.test package Subpackages Submodules Module contents Submodules iodata.api module dump_many() dump_one() load_many() load_one() write_input() iodata.attrutils module convert_array_to() validate_shape() iodata.basis module MolecularBasis Shell angmom_its() angmom_sti() iodata.convert module convert_conventions() convert_to_segmented() convert_to_unrestricted() iter_cart_alphabet() iodata.docstrings module document_dump_many() document_dump_one() document_load_many() document_load_one() document_write_input() iodata.iodata module IOData iodata.orbitals module MolecularOrbitals validate_norbab() validate_occs_aminusb() iodata.overlap module GaussianOverlap compute_overlap() factorial2() gob_cart_normalization() iodata.overlap_cartpure module iodata.periodic module iodata.prepare module prepare_segmented() prepare_unrestricted_aminusb() iodata.utils module BaseFileError BaseFileWarning Cube DumpError DumpWarning FileFormatError LineIterator LoadError LoadWarning PrepareDumpError PrepareDumpWarning WriteInputError check_dm() derive_naturals() set_four_index_element() strtobool() volume() Module contents